SCHEMBL21600566

SCHEMBL21600566

CN1CC[C@@]23CC(=O)CCC2C1Cc1ccc(OCc2ccccc2)c(O)c13

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.73
OPRM1 P35372 9/20 0.61
OPRK1 P41145 5/20 0.61
OPRD1 P41143 4/20 0.61
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
MRGPRX2 Q96LB1 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2D6 P10635 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.43
PDE4D Q08499 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16445988 1.00 GAA (0.73) GAAOPRM1OPRK1OPRD1GRIN2D
SCHEMBL22865971 1.00 GAA (0.73) GAAOPRM1OPRK1OPRD1GRIN2D
SCHEMBL21600228 1.00 GAA (0.73) GAAOPRM1OPRK1OPRD1GRIN2D
SCHEMBL18878754 1.00 GAA (0.73) GAAOPRM1OPRK1OPRD1GRIN2D
SCHEMBL14371362 0.87 GAA (0.79) GAAOPRM1OPRK1OPRD1MRGPRX2
SCHEMBL16454868 0.85 GAA (0.76) GAAOPRM1OPRK1OPRD1GRIN2D
SCHEMBL21148321 0.85 GAA (1.00) GAAOPRM1OPRK1OPRD1MRGPRX2
SCHEMBL14371364 0.85 GAA (1.00) GAAOPRM1OPRK1OPRD1MRGPRX2
SCHEMBL12717587 0.85 GAA (1.00) GAAOPRM1OPRK1OPRD1MRGPRX2
SCHEMBL12717590 0.85 GAA (1.00) GAAOPRM1OPRK1OPRD1MRGPRX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004114-B1 MORPHAN AND MORPHINAN ANALOGUES, AND METHODS OF USE ALKERMES PHARMA IRELAND LTD (IE) 2019-12-25 EP disclosed